6HNY
Human protein kinase CK2 alpha in complex with boldine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-11 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.513, 46.041, 63.184 |
Unit cell angles | 90.00, 112.15, 90.00 |
Refinement procedure
Resolution | 36.185 - 1.650 |
R-factor | 0.1749 |
Rwork | 0.173 |
R-free | 0.20630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3q04 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.945 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.040 | 46.040 | 1.680 |
High resolution limit [Å] | 1.650 | 9.040 | 1.650 |
Rmerge | 0.062 | 0.023 | 0.690 |
Rmeas | 0.071 | 0.026 | 0.779 |
Rpim | 0.033 | 0.012 | 0.356 |
Number of reflections | 37478 | 252 | 1837 |
<I/σ(I)> | 14.9 | ||
Completeness [%] | 99.4 | 98.6 | 98.6 |
Redundancy | 4.5 | 4.2 | 4.6 |
CC(1/2) | 0.999 | 0.999 | 0.736 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 32% PEG4000, 0.2 M Lithium Sulfate |